(E)-8-(3-Bromo-4-methoxystyryl)-7-methyl-1,3-dipropylxanthine | 151539-50-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: (E)-8-(3-Bromo-4-methoxystyryl)-7-methyl-1,3-dipropylxanthine
• 英文别名: 8-[(E)-2-(3-bromo-4-methoxyphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione
• CAS: 151539-50-3
• 化学式: C₂₁H₂₅BrN₄O₃
• 分子量: 461.358
• InChiKey: OXBSWNUXZWSGFG-CSKARUKUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  29
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  67.7
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• Therapeutic agents for use in the treatment of parkinson's disease
  申请人：KYOWA HAKKO KOGYO CO., LTD.

  公开号：EP0565377A1

  公开（公告）日：1993-10-13

  Disclosed are therapeutic agents for use in the treatment of Parkinson's disease, such agents being xanthine derivatives of the Formula (I) and their pharmaceutical acceptable salts : where R1, R2 and R3 are each H, C1-C6 alkyl or allyl ; and R4 is cycloalkyl of 3 to 8 carbon atoms, a -(CH2)n-R5 group where n is an cycloalkyl of 3 to 8 carbon atoms, a - (CH2)n-R5 group where n is an integer of from 0-4 and R5 is an aryl group of 6 to 10 carbon atoms or a heterocyclic group, such aryl or heterocyclic group optionally being substituted by up to 3 substituent(s) selected from C1-C6 alkyl, hydroxy, C1-C6 alkoxy, halogen, nitro and amino ; or a group, where Y1 and Y2 are each H or CH3 and Z is a substituted or unsubstituted aryl or heterocyclic group as defined under R5.

  本发明揭示了治疗帕金森病的治疗剂，该治疗剂为公式（I）的黄嘌呤衍生物及其药物可接受的盐：其中，R1、R2和R3分别为H、C1-C6烷基或丙烯基；而R4为3至8个碳原子的环烷基，-(CH2)n-R5基团，其中n为3至8个碳原子的环烷基，-(CH2)n-R5基团，其中n为0-4的整数，而R5为6至10个碳原子的芳基基团或杂环基团，所述芳基或杂环基团可选地被选自C1-C6烷基，羟基，C1-C6烷氧基，卤素，硝基和氨基的最多3个取代基所取代；或Y1和Y2分别为H或CH3，而Z为根据R5所定义的取代或未取代的芳基或杂环基团的一个基团。
• Xanthine derivatives
  申请人：KYOWA HAKKO KOGYO CO., LTD.

  公开号：EP0607607A1

  公开（公告）日：1994-07-27

  Disclosed are xanthine derivatives represented by the following Formula (I): in which R¹, R², and R³ independently represent hydrogen or lower alkyl; Q¹, Q², and Q³ independently represent hydrogen, lower alkyl, lower alkoxy, or halogen; and X represents -COR⁴ (in which R⁴ represents hydrogen, hydroxy, lower alkyl, or lower alkoxy) or -SO₂R⁵ in which R⁵ represents hydroxy, lower alkoxy, trifluoromethyl, in which R⁶ and R⁷ independently represent hydrogen, hydroxy-substituted or unsubstituted lower alkyl, aryl, or (in which m represents an integer of 1 to 3; and R⁸ and R⁹ independently represent hydrogen or lower alkyl), or (in which Y represents a single bond, oxygen, or N-R¹⁰ in which R¹⁰ represents hydrogen or lower alkyl; and n1 and n2 independently represent an integer of 1 to 3 )}, and pharmaceutically acceptable salts thereof.

  所公开的是由下式 (I) 所代表的黄嘌呤衍生物： 其中 R¹、R² 和 R³ 独立地代表氢或低级烷基； Q¹、Q² 和 Q³ 独立地代表氢、低级烷基、低级烷氧基或卤素； X代表-COR⁴（其中R⁴代表氢、羟基、低级烷基或低级烷氧基）或-SO₂R⁵ 其中R⁵代表羟基、低级烷氧基、三氟甲基、 其中 R⁶ 和 R⁷ 独立地代表氢、羟基取代或未取代的低级烷基、芳基，或 (其中 m 代表 1 至 3 的整数；R⁸ 和 R⁹ 独立地代表氢或低级烷基），或 (其中 Y 代表单键、氧或 N-R¹⁰，其中 R¹⁰ 代表氢或低级烷基；且 n1 和 n2 独立地代表 1 至 3 的整数）}，及其药学上可接受的盐。
• ANTIDEPRESSANT
  申请人：KYOWA HAKKO KOGYO CO., LTD.

  公开号：EP0628311A1

  公开（公告）日：1994-12-14

  An antidepressant containing an active ingredient comprising a xanthine derivative represented by general formule (I) or a pharmacologically acceptable salt thereof, wherein R¹, R² and R³ may be the same or different from one another and each represents hydrogen, lower alkyl, alkyl or propargyl; R⁴ represents cycloalkyl, -(CH₂)n-R⁵ (wherein R⁵ represents optionally substituted aryl or optionally substituted heterocyclic group, and n represents an integer of 0 to 4) of group (A) wherein Y¹ and Y² may be the same or different from each other and each represents hydrogen, fluorine or methyl, and Z represents optionally substituted aryl, group (B) (wherein R⁶ represents hydrogen, hydroxy, lower alkyl, lower alkoxy, halogen, nitro or amino, and m represents an integer of 1 to 3), or optionally substituted heterocyclic group; and X¹ and X² may be the same or different from each other and each represents O or S.

  一种含有活性成分的抗抑郁剂，其活性成分包含通式(I)所代表的黄嘌呤衍生物或其药理上可接受的盐，其中 R¹、R² 和 R³ 可以相同或彼此不同，且各自代表氢、低级烷基、烷基或丙炔基；R⁴ 代表(A)基团的环烷基、-(CH₂)n-R⁵（其中 R⁵ 代表任选取代的芳基或任选取代的杂环基团，且 n 代表 0 至 4 的整数），其中 Y¹ 和 Y² 可以相同或不同，且各自代表氢、氟或甲基，Z 代表任选取代的芳基、基团 (B)（其中 R⁶ 代表氢、羟基、低级烷基、低级烷氧基、卤素、硝基或氨基，m 代表 1 至 3 的整数）或任选取代的杂环基团；X¹ 和 X² 可以相同或不同，各自代表 O 或 S。
• Therapeutic agents for use in the treatment of Parkinson's Disease
  申请人：Kyowa Hakko Kogyo Co., Ltd.

  公开号：EP0565377B1

  公开（公告）日：1998-01-07
• Xanthine-Derivatives as Antidepressants
  申请人：KYOWA HAKKO KOGYO CO., LTD.

  公开号：EP0628311B1

  公开（公告）日：2002-04-24